Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 5/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.36 |
| ▸ | ITGAV | P06756 | 2/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 4/20 | 0.35 |
| ▸ | DRD2 | P14416 | 4/20 | 0.35 |
| ▸ | DRD3 | P35462 | 4/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5248782 | 0.93 | SCN9A (0.38) | ITGB3ITGAVITGA2BSCN9ADGAT1 | |
| Trifluoroacetic Acid SCHEMBL5245688 | 0.90 | BRD4 (0.41) | BRD4SCN9ADRD2DRD3 | |
| SCHEMBL5246426 | 0.88 | BRD4 (0.41) | BRD4DGAT1DRD2DRD3DRD4 | |
| Trifluoroacetic Acid SCHEMBL5244499 | 0.88 | BRD4 (0.42) | BRD4 | |
| Trifluoroacetic Acid SCHEMBL5246592 | 0.83 | BRD4 (0.41) | BRD4 | |
| Trifluoroacetic Acid SCHEMBL5245793 | 0.82 | ALDH1A1 (0.44) | BRD4 | |
| Trifluoroacetic Acid SCHEMBL5246340 | 0.82 | NPC1 (0.38) | BRD4SCN9ADRD2DRD3 | |
| SCHEMBL5245310 | 0.82 | DRD2 (0.38) | DGAT1DRD2DRD3DRD4 | |
| SCHEMBL5246767 | 0.82 | MIF (0.47) | BRD4 | |
| Trifluoroacetic Acid SCHEMBL5247737 | 0.81 | GLS (0.42) | SCN9A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1867331-A1 | TRIAZOLE DERIVATIVE AND THE USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-12-19 | — | — | EP | disclosed |